CID 10803537

2h,2h,3h,3h-perfluoroheptanoic acid

Structural Information

Molecular Formula
C7H5F9O2
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C7H5F9O2/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H2,(H,17,18)
InChIKey
QWHCZVLZUPZGSI-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

85
Patents

292.0146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02188 150.6
[M+Na]+ 315.00382 159.0
[M-H]- 291.00732 138.8
[M+NH4]+ 310.04842 164.7
[M+K]+ 330.97776 156.6
[M+H-H2O]+ 275.01186 140.1
[M+HCOO]- 337.01280 156.4
[M+CH3COO]- 351.02845 198.7
[M+Na-2H]- 312.98927 153.7
[M]+ 292.01405 137.2
[M]- 292.01515 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe